论文标题

有机太阳能电池中散装异质结构架构的局限性的建模II:3D模型

Modelling of limitations of bulk heterojunction architecture in organic solar cells II: 3d model

论文作者

Wojtkiewicz, Jacek, Pilch, Marek

论文摘要

聚合物太阳能电池被认为是发展未来光伏的非常有希望的候选者。它们便宜且易于制造。但是,到目前为止,它们具有根本的缺点:效率低下。在最受欢迎的BHJ(散装异质结)架构中,实际的长期效率约为12 \%(最近的成就约为15 \%)。有人问一个问题,这种限制是多么基本,因为某些理论考虑表明它应该高两倍。在我们的论文中,我们将“几何因素”分析为BHJ架构效率相对较低的可能解释之一。更准确地说,我们计算供体和受体纳米晶体的随机混合物中供体 - 受体边界的有效区域,并将其与理想的“刷子”结构进行比较。在我们先前对二维模型的计算中,我们发现几何因素的最大值约为40 \%。在实际的三维模型中,事实证明,这两种体系结构都具有非常接近的有效区域的价值。因此,作为限制因素的效率,几何因素似乎并不重要。讨论了这一事实的含义:我们列出了另外两个因素(文献中没有彻底讨论),这可能是BHJ体系结构效率的局限性。我们估计它们的规模,并建议这些局限性是不可避免的,或者至少很难克服。我们建议恢复层体系结构可以从根本上提高效率限制 - 但是,为了实现突破,必须发明具有较大激子扩散长度的材料。

Polymer solar cells are considered as very promising candidates for development of photovoltaics of the future. They are cheap and easy to fabricate. However, up to now, they possess fundamental drawback: low effectiveness. In the most popular BHJ (bulk heterojunction) architecture the actual long-standing top efficiency is about 12\% (recent achievements about 15\%). One ask the question how fundamental this limitation is, as certain theoretical considerations suggest that it should be about two times higher. In our paper we analyze the `geometric factor' as one of possible explanation of relatively low efficiency of BHJ architecture. More precisly, we calculate the effective area of the donor-acceptor border in the random mixture of donor and acceptor nanocrystals and further compare it with an ideal 'brush' architecture. In our previous calculation for the two dimensional model, we have found that the maximal value of geometric factor was about 40\%. In the actual three dimensional model, it turned out that both architectures give very close value of the effective area. So the geometric factor seems to be not significant as a factor limiting efficiency. Implications of this fact are discussed: we list two other factors (mentioned but not thoroughly discussed in literature) which can be responsible for limitations of efficiency of BHJ architecture. We estimate their scale, and suggest that these limitations are inevitable, or at least very hard to overcome. We suggest that return to layer architecture could radically improve efficiency limitations -- however, to make breakthrough, materials with large exciton diffusion length have to be invented.

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